2-(2-ethanoyl-4,5-dihydrobenzo[g]isoindol-1-yl)ethylsulfanylmethyl ethanoate

Systemtic Name: 2-(2-ethanoyl-4,5-dihydrobenzo[g]isoindol-1-yl)ethylsulfanylmethyl ethanoate Openeye Name: 2-(2-acetyl-4,5-dihydrobenzo[g]isoindol-1-yl)ethylsulfanylmethyl acetate CAS Name: acetic acid [2-(2-acetyl-4,5-dihydrobenzo[g]isoindol-1-yl)ethylthio]methyl ester IUPAC Name: 2-(2-acetyl-4,5-dihydrobenzo[g]isoindol-1-yl)ethylsulfanylmethyl acetate Traditional Name: acetic acid [2-(2-acetyl-4,5-dihydrobenz[g]isoindol-1-yl)ethylthio]methyl ester Formula: C19H21NO3S MolecularWeight: 343.43994

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=C2CCC3=CC=CC=C3C2=C1CCSCOC(=O)C

Isomeric SMILES

CC(=O)N1C=C2CCC3=CC=CC=C3C2=C1CCSCOC(=O)C

InChI

InChI=1S/C19H21NO3S/c1-13(21)20-11-16-8-7-15-5-3-4-6-17(15)19(16)18(20)9-10-24-12-23-14(2)22/h3-6,11H,7-10,12H2,1-2H3